methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(indan-5-ylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1H-inden-5-ylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2,3-dihydro-1H-inden-5-ylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(indan-5-ylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N2O2S2 MolecularWeight: 422.56298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC3=C(CCC3)C=C2)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c1-14-19(16-7-4-3-5-8-16)20(22(26)27-2)21(29-14)25-23(28)24-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H2,24,25,28)